2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine

C14H13F3N4OS — CID 18799801

IUPAC2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Sc1nc(N)cc(C(F)(F)F)n1)c1cc2c(cn1)OCC2
InChIInChI=1S/C14H13F3N4OS/c1-7(9-4-8-2-3-22-10(8)6-19-9)23-13-20-11(14(15,16)17)5-12(18)21-13/h4-7H,2-3H2,1H3,(H2,18,20,21)
InChIKeyUHMCPTMJLIUACS-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.26
Rot. Bonds3

About 2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine

2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 18799801) has the molecular formula C14H13F3N4OS and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID18799801
Molecular FormulaC14H13F3N4OS
Molecular Weight342.35 g/mol
Exact Mass342.08
IUPAC Name2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Sc1nc(N)cc(C(F)(F)F)n1)c1cc2c(cn1)OCC2
InChIInChI=1S/C14H13F3N4OS/c1-7(9-4-8-2-3-22-10(8)6-19-9)23-13-20-11(14(15,16)17)5-12(18)21-13/h4-7H,2-3H2,1H3,(H2,18,20,21)
InChIKeyUHMCPTMJLIUACS-UHFFFAOYSA-N
XLogP3.26
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 18799801) is 2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine is CC(Sc1nc(N)cc(C(F)(F)F)n1)c1cc2c(cn1)OCC2.
What is the InChIKey of 2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UHMCPTMJLIUACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4OS/c1-7(9-4-8-2-3-22-10(8)6-19-9)23-13-20-11(14(15,16)17)5-12(18)21-13/h4-7H,2-3H2,1H3,(H2,18,20,21).
What are the key properties of 2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 342.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 18799801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).